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首页> 外文期刊>Crystal growth & design >Searching New Crystalline Substrates for OMBE: Topological and Energetic Aspects of Cleavable Organic Crystals
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Searching New Crystalline Substrates for OMBE: Topological and Energetic Aspects of Cleavable Organic Crystals

机译:在新的晶体基质中寻找OMBE:可裂解有机晶体的拓扑和能量方面

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摘要

Thin films of organic semiconductors are intensively studied in view of their exploitation in modern electronic devices. Until now, few crystalline substrates have been used as clean surfaces for organic molecular beam epitaxy (OMBE). Among them, beta-alanine crystals recently proved to be valuable substrates because of their cleavage along (010) surfaces. To increase the set of available substrates, we searched layered structures through the Cambridge Structural Database by means of the ToposPro program package. Also, we propose here an energy partitioning scheme with a new descriptor that allows one to determine the feasibility of cleaving a crystal along a given crystallographic plane. This procedure is based on the partition of cohesive energy among molecules in a given layer in the crystal structure and molecules found in adjacent layers. The experimental validation on 12 selected amino acid structures, selected among potentially suitable compounds for the OMBE trials, showed the reliability of the method proposed here.
机译:考虑到有机半导体薄膜在现代电子设备中的开发,对其进行了深入研究。到目前为止,几乎没有晶体衬底被用作有机分子束外延(OMBE)的清洁表面。其中,由于其沿(010)表面的裂解,最近证明了β-丙氨酸晶体是有价值的底物。为了增加可用基材的数量,我们通过ToposPro程序包在Cambridge Structural Database中搜索了分层结构。同样,我们在这里提出一种具有新描述符的能量分配方案,该描述符可以确定沿给定晶体平面分裂晶体的可行性。该过程基于内聚能在晶体结构中给定层中的分子与在相邻层中发现的分子之间的分配。在OMBE试验的潜在合适化合物中选择的12种选定氨基酸结构的实验验证表明,此处提出的方法可靠。

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